3-bromo-6-fluoro-2-methylpyridine-4-carboxylic acid

C7H5BrFNO2 — CID 164893881

IUPAC3-bromo-6-fluoro-2-methylpyridine-4-carboxylic acid
SMILESCc1nc(F)cc(C(=O)O)c1Br
InChIInChI=1S/C7H5BrFNO2/c1-3-6(8)4(7(11)12)2-5(9)10-3/h2H,1H3,(H,11,12)
InChIKeyJLFZOULTLJNGKN-UHFFFAOYSA-N
MW234.02 g/mol
LogP1.99
Rot. Bonds1

About 3-bromo-6-fluoro-2-methylpyridine-4-carboxylic acid

3-bromo-6-fluoro-2-methylpyridine-4-carboxylic acid (PubChem CID 164893881) has the molecular formula C7H5BrFNO2 and a molecular weight of 234.02 g/mol. Its IUPAC name is 3-bromo-6-fluoro-2-methylpyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-bromo-6-fluoro-2-methylpyridine-4-carboxylic acid
PubChem CID164893881
Molecular FormulaC7H5BrFNO2
Molecular Weight234.02 g/mol
Exact Mass232.95
IUPAC Name3-bromo-6-fluoro-2-methylpyridine-4-carboxylic acid
SMILESCc1nc(F)cc(C(=O)O)c1Br
InChIInChI=1S/C7H5BrFNO2/c1-3-6(8)4(7(11)12)2-5(9)10-3/h2H,1H3,(H,11,12)
InChIKeyJLFZOULTLJNGKN-UHFFFAOYSA-N
XLogP1.99
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.02
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-bromo-5-fluoro-2-methylpyridine-3-carboxylic acid
CID 159654807
5-bromo-2,6-dimethylpyridine-3-carboxylic acid
CID 130636897
2,5-dibromo-3-methylbenzoic acid
CID 11850381
2,6-difluoro-5-methylpyridine-3-carboxylic acid
CID 21303212
2,5-dibromobenzene-1,3-dicarboxylic acid
CID 22572011
3-bromo-4-tert-butyl-6-fluoropyridine-2-carboxylic acid
CID 89499079
2-bromo-5-hydroxy-3-methylbenzoic acid
CID 66726623
3,6-dibromo-2-(difluoromethyl)pyridine-4-carboxylic acid
CID 130099066
4-bromo-5-chloro-2-fluoro-3-methylbenzoic acid
CID 146235171
6-fluoro-2-methylpyridine-3-carbonyl bromide
CID 119084429
5-bromo-2,4-difluoro-3-methylbenzoic acid
CID 59875256
2-(3-bromo-4-fluorophenyl)-4-methyl-1,3-oxazole-5-carboxylic acid
CID 107953395

Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-fluoro-2-methylpyridine-4-carboxylic acid?
The IUPAC name of 3-bromo-6-fluoro-2-methylpyridine-4-carboxylic acid (CID 164893881) is 3-bromo-6-fluoro-2-methylpyridine-4-carboxylic acid.
What is the SMILES notation for 3-bromo-6-fluoro-2-methylpyridine-4-carboxylic acid?
The canonical SMILES for 3-bromo-6-fluoro-2-methylpyridine-4-carboxylic acid is Cc1nc(F)cc(C(=O)O)c1Br.
What is the InChIKey of 3-bromo-6-fluoro-2-methylpyridine-4-carboxylic acid?
The InChIKey is JLFZOULTLJNGKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrFNO2/c1-3-6(8)4(7(11)12)2-5(9)10-3/h2H,1H3,(H,11,12).
What are the key properties of 3-bromo-6-fluoro-2-methylpyridine-4-carboxylic acid?
3-bromo-6-fluoro-2-methylpyridine-4-carboxylic acid has a molecular weight of 234.02 g/mol, XLogP of 1.99, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6-fluoro-2-methylpyridine-4-carboxylic acid is sourced from PubChem (CID 164893881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).